# generated using pymatgen data_BaSr7Co6(CuO12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76248388 _cell_length_b 7.76248388 _cell_length_c 7.79322700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.10913424 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSr7Co6(CuO12)2 _chemical_formula_sum 'Ba1 Sr7 Co6 Cu2 O24' _cell_volume 469.58904971 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.24953400 0.24953400 0.50000000 1.0 Sr Sr1 1 0.75038800 0.24914800 0.50000000 1.0 Sr Sr2 1 0.75073700 0.24912200 0.00000000 1.0 Sr Sr3 1 0.24931500 0.24931500 0.00000000 1.0 Sr Sr4 1 0.75073000 0.75073000 0.50000000 1.0 Sr Sr5 1 0.75095400 0.75095400 0.00000000 1.0 Sr Sr6 1 0.24914800 0.75038800 0.50000000 1.0 Sr Sr7 1 0.24912200 0.75073700 0.00000000 1.0 Co Co8 1 0.50135700 0.99879600 0.75115100 1.0 Co Co9 1 0.50135700 0.99879600 0.24884900 1.0 Co Co10 1 0.99879600 0.50135700 0.75115100 1.0 Co Co11 1 0.99879600 0.50135700 0.24884900 1.0 Co Co12 1 0.50101100 0.50101100 0.75160700 1.0 Co Co13 1 0.50101100 0.50101100 0.24839300 1.0 Cu Cu14 1 0.99975400 0.99975400 0.75082300 1.0 Cu Cu15 1 0.99975400 0.99975400 0.24917700 1.0 O O16 1 0.99505900 0.25885000 0.75504100 1.0 O O17 1 0.99505900 0.25885000 0.24495900 1.0 O O18 1 0.50442700 0.25352200 0.75433700 1.0 O O19 1 0.50442700 0.25352200 0.24566300 1.0 O O20 1 0.99934100 0.74224300 0.75091100 1.0 O O21 1 0.99934100 0.74224300 0.24908900 1.0 O O22 1 0.50123100 0.74664500 0.75121100 1.0 O O23 1 0.50123100 0.74664500 0.24878900 1.0 O O24 1 0.74224300 0.99934100 0.75091100 1.0 O O25 1 0.74224300 0.99934100 0.24908900 1.0 O O26 1 0.25885000 0.99505900 0.75504100 1.0 O O27 1 0.25885000 0.99505900 0.24495900 1.0 O O28 1 0.74664500 0.50123100 0.75121100 1.0 O O29 1 0.74664500 0.50123100 0.24878900 1.0 O O30 1 0.25352200 0.50442700 0.75433700 1.0 O O31 1 0.25352200 0.50442700 0.24566300 1.0 O O32 1 0.99281500 0.99281500 0.50000000 1.0 O O33 1 0.99874000 0.99874000 0.00000000 1.0 O O34 1 0.50413600 0.99451300 0.50000000 1.0 O O35 1 0.50138300 0.99901400 0.00000000 1.0 O O36 1 0.99451300 0.50413600 0.50000000 1.0 O O37 1 0.99901400 0.50138300 0.00000000 1.0 O O38 1 0.50351500 0.50351500 0.50000000 1.0 O O39 1 0.50148500 0.50148500 0.00000000 1.0